Found 23 results

Search term: MF = 'C_{54}H_{90}O_{24}'
ChemSpider 2D Image | CSID:8639362 | C54H90O24

  • Molecular FormulaC54H90O24
  • Average mass1123.278 Da
  • Monoisotopic mass1122.582153 Da
  • ChemSpider ID8639362

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 22 of 24 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-2-Méthyl-2-buténoate de (2R,3S,4R,5R)-4,5-dihydroxy-2-méthyl-6-{[(1S,3R,4S,5S,6R,8S,11S,12S,13S,15R,17S,29R,30S,31S,33R)-4,5,11,12,13-pentahydroxy-6-({[(2S,3S)-3-hydroxy-2-méthylbutanoyl]oxy}méth ;yl)-31-méthyl-33-{[(2S)-2-méthylbutanoyl]oxy}-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatétracyclo[27.3.1.03,8.010,15]tritriacont-30-yl]oxy}tétrahydro-2H-pyran-3-yle [French] [ACD/IUPAC Name]
(2R,3S,4R,5R)-4,5-Dihydroxy-2-methyl-6-{[(1S,3R,4S,5S,6R,8S,11S,12S,13S,15R,17S,29R,30S,31S,33R)-4,5,11,12,13-pentahydroxy-6-({[(2S,3S)-3-hydroxy-2-methylbutanoyl]oxy}methyl)-31-methyl-33-{[(2S)-2-met ;hylbutanoyl]oxy}-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacont-30-yl]oxy}tetrahydro-2H-pyran-3-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 1120.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 186.4±6.0 kJ/mol
Flash Point: 303.3±27.8 °C
Index of Refraction: 1.558
Molar Refractivity: 274.7±0.4 cm3
#H bond acceptors: 24
#H bond donors: 8
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 12.13
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19895.23
ACD/KOC (pH 5.5): 41555.73
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19893.77
ACD/KOC (pH 7.4): 41552.67
Polar Surface Area: 341 Å2
Polarizability: 108.9±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 851.7±5.0 cm3

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